| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| October 31st, 2005 | 28 | No |
Popular Name: 5-acetyl-2-hydroxy-6-methylnicotinonitrile 5-acetyl-2-hydroxy-6-methylnicot…
Find On: PubMed — Wikipedia — Google
CAS Numbers: 337928-71-9 , 52600-53-0 , [52600-53-0]
| Type pH range | xlogP | Des A‑Pol Apolar desolvation (kcal/mol) | Des Pol Polar desolvation (kcal/mol) | H Don H-bond donors | H Acc H-bond acceptors | Chg Net charge | tPSA (Ų) | MWT Molecular weight (g/mol) | RB Rotatable bonds | DL |
|---|---|---|---|---|---|---|---|---|---|---|
| Ref Reference (pH 7) | 4.11 | 9.17 | -48.43 | 1 | 6 | -1 | 91 | 408.381 | 5 | ↓ |
| Ref Reference (pH 7) | 4.11 | 9.27 | -48.22 | 1 | 6 | -1 | 91 | 408.381 | 5 | ↓ |
| Mid Mid (pH 6-8) | 3.96 | 8.39 | -20.96 | 3 | 6 | 0 | 87 | 409.389 | 6 | ↓ |
| Lo Low (pH 4.5-6) | 4.11 | 8.42 | -22.25 | 2 | 6 | 0 | 88 | 409.389 | 5 | ↓ |
| Lo Low (pH 4.5-6) | 4.11 | 8.51 | -23.35 | 2 | 6 | 0 | 88 | 409.389 | 5 | ↓ |
| Note Type | Comments | Provided By |
|---|---|---|
| melting_point | 154 - 157 | KeyOrganics |
No pre-computed analogs available. Try a structural similarity search.